4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid

C15H19FN2O6 — CID 153388265

IUPAC4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid
SMILESCOC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCF)cc1N
InChIInChI=1S/C15H19FN2O6/c1-22-14(19)10-6-13(12(23-8-16)7-11(10)17)24-9-2-4-18(5-3-9)15(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,20,21)
InChIKeyOTZACQWDPPHVEG-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.88
Rot. Bonds5

About 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid

4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid (PubChem CID 153388265) has the molecular formula C15H19FN2O6 and a molecular weight of 342.32 g/mol. Its IUPAC name is 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid
PubChem CID153388265
Molecular FormulaC15H19FN2O6
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid
SMILESCOC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCF)cc1N
InChIInChI=1S/C15H19FN2O6/c1-22-14(19)10-6-13(12(23-8-16)7-11(10)17)24-9-2-4-18(5-3-9)15(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,20,21)
InChIKeyOTZACQWDPPHVEG-UHFFFAOYSA-N
XLogP1.88
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-methoxy-5-(oxolan-3-yloxy)benzoate
CID 167227648
(3R,4R)-4-(2-cyclopropyloxy-5-methoxycarbonyl-4-nitrophenoxy)-3-fluoropiperidine-1-carboxylic acid
CID 170164257
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
CID 61307094
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
2-amino-5-(2,2-difluoroethoxy)-4-methoxybenzoic acid
CID 54939430
methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
4-[3-(4-amino-5-fluoro-2-methoxyphenyl)-3-oxopropyl]piperidine-1-carboxylic acid
CID 146619684
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
cyclobutyl 2-amino-4,5-dimethoxybenzoate
CID 62217231
methyl 2-amino-4-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzoate
CID 55132720

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid (CID 153388265) is 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid is COC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCF)cc1N.
What is the InChIKey of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
The InChIKey is OTZACQWDPPHVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O6/c1-22-14(19)10-6-13(12(23-8-16)7-11(10)17)24-9-2-4-18(5-3-9)15(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,20,21).
What are the key properties of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 153388265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).